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OAKWOOD-ZINC02528726

 MMsINC code: MMs02544549
Type: Neutral
Formula: C12H10FNO2S
SMILES:   s1cc(-c2ccc(F)cc2)c(N)c1C(OC)=O
InChI:   InChI=1/C12H10FNO2S/c1-16-12(15)11-10(14)9(6-17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

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Potential Energy
Epot(MMFF94)=47.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.281 g/mol  logS: -4.01552  SlogP: 2.923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360369  Sterimol/B1: 2.66949  Sterimol/B2: 3.02075  Sterimol/B3: 3.61393
  Sterimol/B4: 4.42014  Sterimol/L: 15.0715 
 
 Surface and Volume Properties
  Accessible surface: 441.562  Positive charged surface: 245.371  Negative charged surface: 196.191  Volume: 218.375
  Hydrophobic surface: 368.09  Hydrophilic surface: 73.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.